CID 3059887

77385-16-1

Structural Information

Molecular Formula
C11H10Cl2N2O2
SMILES
CN1CCC(=O)N(C1=O)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C11H10Cl2N2O2/c1-14-5-4-10(16)15(11(14)17)9-6-7(12)2-3-8(9)13/h2-3,6H,4-5H2,1H3
InChIKey
XIXZFTPFAVTKQG-UHFFFAOYSA-N
Compound name
3-(2,5-dichlorophenyl)-1-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.01193 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.01921 155.0
[M+Na]+ 295.00115 165.9
[M-H]- 271.00465 158.6
[M+NH4]+ 290.04575 170.4
[M+K]+ 310.97509 160.2
[M+H-H2O]+ 255.00919 148.1
[M+HCOO]- 317.01013 164.3
[M+CH3COO]- 331.02578 196.0
[M+Na-2H]- 292.98660 156.9
[M]+ 272.01138 156.1
[M]- 272.01248 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe